#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yro s SER 2 N 0.00 4.38 0.51 1.61 0.15 -1.26 -5.15 113.70 113.94 2yro s SER 2 Ca 0.00 -0.86 0.05 0.00 0.70 0.00 0.00 55.95 55.84 2yro s SER 2 Cb 0.00 -0.64 0.01 0.00 -1.71 0.00 0.00 66.02 63.68 2yro s SER 2 CO 0.00 -0.21 0.31 -0.94 1.20 0.00 0.00 173.24 173.60 2yro s SER 3 N -3.74 4.57 0.00 5.45 1.04 -1.26 -5.08 113.70 114.67 2yro s SER 3 Ca 0.35 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2yro s SER 3 Cb -0.02 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2yro s SER 3 CO 0.20 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2yro n GLY 4 N -1.59 2.49 0.05 7.32 0.00 -1.26 -4.95 105.19 107.25 2yro n GLY 4 Ca -0.03 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2yro n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yro h SER 5 N 0.00 -0.01 0.00 1.61 0.02 -1.98 -3.36 113.55 109.83 2yro h SER 5 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2yro h SER 5 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2yro h SER 5 CO 0.00 0.22 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.58 2yro h SER 6 N -0.24 0.00 -3.74 3.07 0.87 -2.01 -3.47 113.55 108.03 2yro h SER 6 Ca -0.00 0.00 0.24 0.00 -1.23 0.00 0.00 61.79 60.80 2yro h SER 6 Cb 0.23 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.06 2yro h SER 6 CO 0.00 0.44 -0.85 0.61 -0.53 0.00 0.00 176.83 176.50 2yro n GLY 7 N 1.80 -3.07 3.77 5.77 0.00 -1.26 -4.86 105.19 107.34 2yro n GLY 7 Ca -0.01 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 2yro n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 8 N -3.78 4.30 -0.06 1.61 0.04 -1.26 -5.05 135.00 130.80 2yro s PRO 8 Ca 0.00 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2yro s PRO 8 Cb 0.00 -2.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.59 2yro s PRO 8 CO 0.00 -0.15 -0.21 -1.59 0.04 0.00 0.00 177.00 175.08 2yro s LYS 9 N -1.90 2.38 -0.10 4.56 -2.85 -1.26 -5.13 119.74 115.43 2yro s LYS 9 Ca 0.51 -0.77 -0.03 0.00 -1.00 0.00 0.00 55.97 54.68 2yro s LYS 9 Cb -0.35 -1.95 -0.03 0.00 -2.06 0.00 0.00 37.83 33.44 2yro s LYS 9 CO 0.45 0.26 0.00 0.45 0.10 0.00 0.00 175.35 176.61 2yro s SER 10 N 0.10 5.21 0.06 0.03 0.15 -1.26 -5.07 113.70 112.91 2yro s SER 10 Ca -0.08 0.10 -0.31 0.00 0.70 0.00 0.00 55.95 56.36 2yro s SER 10 Cb -0.14 -1.55 -0.08 0.00 -1.71 0.00 0.00 66.02 62.53 2yro s SER 10 CO 0.05 0.33 1.61 -0.83 1.20 0.00 0.00 173.24 175.60 2yro s GLY 11 N -0.61 1.60 0.03 9.45 0.00 -1.26 -5.00 107.32 111.53 2yro s GLY 11 Ca 0.10 1.15 -0.00 0.00 0.00 0.00 0.00 44.72 45.97 2yro s GLY 11 CO 0.02 2.83 -0.03 -0.51 0.00 0.00 0.00 173.10 175.42 2yro s THR 12 N 2.62 0.14 0.79 0.90 -4.23 -1.26 -5.17 115.64 109.44 2yro s THR 12 Ca 0.72 -1.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.02 2yro s THR 12 Cb -0.38 -0.49 0.20 0.00 1.34 0.00 0.00 72.50 73.16 2yro s THR 12 CO 0.31 -0.59 0.70 -0.81 -0.54 0.00 0.00 174.62 173.70 2yro n PRO 13 N 1.33 -2.40 -3.92 3.99 -0.04 -1.26 -4.95 135.00 127.75 2yro n PRO 13 Ca -0.22 -1.13 -0.32 0.00 -0.04 0.00 0.00 63.50 61.79 2yro n PRO 13 Cb 0.56 -1.06 -0.05 0.00 -0.04 0.00 0.00 33.50 32.92 2yro n PRO 13 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2yro s GLN 14 N -4.60 3.40 0.51 0.54 -0.21 -1.26 -4.41 119.66 113.64 2yro s GLN 14 Ca 0.46 -0.38 0.05 0.00 0.02 0.00 0.00 55.36 55.51 2yro s GLN 14 Cb -0.05 -3.06 0.01 0.00 1.00 0.00 0.00 33.01 30.92 2yro s GLN 14 CO 0.35 0.65 0.28 -0.51 -2.12 0.00 0.00 175.29 173.94 2yro s LEU 15 N -2.12 2.70 0.28 2.90 1.43 -1.18 -5.03 118.68 117.66 2yro s LEU 15 Ca 0.29 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.15 2yro s LEU 15 Cb -0.13 -1.16 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 2yro s LEU 15 CO 0.21 -0.94 -0.01 -0.44 0.23 0.00 0.00 176.35 175.40 2yro s SER 16 N -4.13 2.40 0.14 2.29 0.01 -1.26 -4.61 113.70 108.54 2yro s SER 16 Ca 0.29 -1.25 0.10 0.00 1.31 0.00 0.00 55.95 56.39 2yro s SER 16 Cb -0.00 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 2yro s SER 16 CO 0.17 -0.47 -0.23 -0.76 0.41 0.00 0.00 173.24 172.37 2yro s LEU 17 N -3.42 2.36 0.11 2.44 1.43 -1.26 -2.84 118.68 117.50 2yro s LEU 17 Ca 0.31 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 2yro s LEU 17 Cb 0.06 -1.02 -0.08 0.00 0.03 0.00 0.00 46.19 45.18 2yro s LEU 17 CO 0.12 0.08 1.36 -2.16 0.23 0.00 0.00 176.35 175.99 2yro s PRO 18 N -2.27 4.34 -0.58 1.29 0.04 -1.26 -5.08 135.00 131.47 2yro s PRO 18 Ca 0.13 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.93 2yro s PRO 18 Cb -0.09 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.22 2yro s PRO 18 CO 0.06 -0.41 1.16 0.12 0.04 0.00 0.00 177.00 177.97 2yro s PHE 19 N 1.10 2.62 -0.39 0.56 5.36 0.82 -4.86 117.98 123.19 2yro s PHE 19 Ca 0.64 0.32 0.02 0.00 -0.96 0.00 0.00 56.93 56.95 2yro s PHE 19 Cb -0.36 -4.45 0.11 0.00 -0.34 0.00 0.00 43.02 37.98 2yro s PHE 19 CO 0.30 -1.57 0.13 0.00 -1.46 0.00 0.00 175.22 172.62 2yro s ALA 20 N 4.82 3.03 0.09 11.12 0.00 -1.26 -0.76 121.76 138.81 2yro s ALA 20 Ca 0.41 -2.66 0.03 0.00 0.00 0.00 0.00 51.96 49.74 2yro s ALA 20 Cb -0.08 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2yro s ALA 20 CO 0.24 -1.77 -0.09 0.00 0.00 0.00 0.00 175.76 174.14 2yro s ALA 21 N 0.76 1.04 -0.02 0.00 0.00 -0.83 -4.96 121.76 117.75 2yro s ALA 21 Ca 0.11 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2yro s ALA 21 Cb -0.21 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2yro s ALA 21 CO -0.06 -0.08 -0.01 -0.98 0.00 0.00 0.00 175.76 174.64 2yro s ARG 22 N -2.89 2.81 0.19 0.00 1.70 -1.26 0.11 118.95 119.62 2yro s ARG 22 Ca 0.05 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.44 2yro s ARG 22 Cb -0.02 -2.68 -0.08 0.00 -0.57 0.00 0.00 34.95 31.60 2yro s ARG 22 CO -0.01 0.64 1.09 -0.51 -1.08 0.00 0.00 175.30 175.43 2yro s LEU 23 N -1.37 4.50 0.41 -1.89 1.43 0.15 -4.92 118.68 117.00 2yro s LEU 23 Ca 0.18 2.10 0.19 0.00 -1.03 0.00 0.00 54.13 55.57 2yro s LEU 23 Cb -0.11 -3.61 1.12 0.00 0.03 0.00 0.00 46.19 43.62 2yro s LEU 23 CO 0.08 -0.19 1.80 -1.13 0.23 0.00 0.00 176.35 177.13 2yro h ASN 24 N 4.93 0.41 -3.47 2.29 -1.24 -1.99 -3.41 115.58 113.11 2yro h ASN 24 Ca -0.45 0.07 -0.56 0.00 0.71 0.00 0.00 56.30 56.07 2yro h ASN 24 Cb 1.21 -0.00 -0.18 0.00 0.73 0.00 0.00 38.32 40.08 2yro h ASN 24 CO 0.72 0.10 -0.80 0.42 -1.29 0.00 0.00 177.43 176.58 2yro s THR 25 N -5.44 1.97 0.18 -3.57 -4.23 -1.26 -5.12 115.64 98.18 2yro s THR 25 Ca -0.08 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.19 2yro s THR 25 Cb 0.24 -1.91 -0.09 0.00 1.34 0.00 0.00 72.50 72.09 2yro s THR 25 CO 0.79 -0.24 1.31 -2.16 -0.54 0.00 0.00 174.62 173.78 2yro s PRO 26 N -2.71 4.38 0.35 3.99 0.04 -1.26 -4.90 135.00 134.89 2yro s PRO 26 Ca 0.17 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.20 2yro s PRO 26 Cb -0.07 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.34 2yro s PRO 26 CO 0.07 -0.27 0.17 -1.33 0.04 0.00 0.00 177.00 175.68 2yro n MET 27 N 2.81 -1.02 -2.96 4.56 2.81 -0.96 -4.89 117.12 117.46 2yro n MET 27 Ca 0.07 -0.28 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 2yro n MET 27 Cb 0.43 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.45 2yro n MET 27 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2yro n GLY 28 N -0.77 -1.08 3.74 3.03 0.00 -1.10 -3.81 105.19 105.20 2yro n GLY 28 Ca 0.03 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 2yro n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 29 N -1.93 4.39 0.00 1.61 0.04 -1.26 -2.78 135.00 135.07 2yro s PRO 29 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2yro s PRO 29 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2yro s PRO 29 CO 0.00 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.20 2yro n GLY 30 N 2.37 2.42 3.76 0.56 0.00 0.18 -4.98 105.19 109.50 2yro n GLY 30 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2yro n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yro s ARG 31 N -0.59 3.34 -0.24 1.61 1.81 -1.12 -4.68 118.95 119.08 2yro s ARG 31 Ca 0.00 1.94 -0.03 0.00 -1.72 0.00 0.00 55.73 55.93 2yro s ARG 31 Cb 0.00 -2.23 0.08 0.00 -0.45 0.00 0.00 34.95 32.35 2yro s ARG 31 CO 0.00 -0.94 0.08 0.99 -0.68 0.00 0.00 175.30 174.75 2yro s THR 32 N -1.48 0.44 -0.29 0.02 2.01 -1.17 -1.77 115.64 113.40 2yro s THR 32 Ca 0.70 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.80 2yro s THR 32 Cb -0.33 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2yro s THR 32 CO 0.39 -0.46 0.15 -0.69 -0.69 0.00 0.00 174.62 173.32 2yro s VAL 33 N 1.87 4.85 -0.01 3.82 1.01 0.15 -2.93 120.40 129.15 2yro s VAL 33 Ca 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2yro s VAL 33 Cb -0.17 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2yro s VAL 33 CO -0.19 0.20 -0.00 0.68 0.00 0.00 0.00 175.10 175.79 2yro s VAL 34 N 1.68 4.15 -0.31 2.92 -7.23 -0.64 -0.80 120.40 120.18 2yro s VAL 34 Ca 0.06 -0.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 2yro s VAL 34 Cb -0.16 -2.84 0.09 0.00 0.56 0.00 0.00 36.38 34.03 2yro s VAL 34 CO 0.08 0.40 0.01 -0.69 -0.31 0.00 0.00 175.10 174.59 2yro s VAL 35 N -1.06 2.07 -0.08 1.32 1.01 -0.29 -2.89 120.40 120.49 2yro s VAL 35 Ca 0.19 -2.01 -0.18 0.00 0.00 0.00 0.00 61.98 59.98 2yro s VAL 35 Cb -0.11 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2yro s VAL 35 CO 0.09 -0.43 0.50 -0.54 0.00 0.00 0.00 175.10 174.72 2yro s LYS 36 N 1.05 4.29 0.00 2.72 1.02 -1.05 -2.89 119.74 124.88 2yro s LYS 36 Ca 0.05 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.55 2yro s LYS 36 Cb -0.19 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 2yro s LYS 36 CO -0.09 0.25 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 2yro n GLY 37 N 2.95 1.48 3.17 -3.33 0.00 -1.22 -1.96 105.19 106.26 2yro n GLY 37 Ca -0.08 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2yro n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 38 N -1.46 0.30 0.50 1.61 2.02 0.49 -3.32 118.70 118.84 2yro s GLU 38 Ca 0.00 0.72 -0.20 0.00 0.02 0.00 0.00 54.97 55.50 2yro s GLU 38 Cb 0.00 -0.03 -0.08 0.00 0.10 0.00 0.00 34.13 34.12 2yro s GLU 38 CO 0.00 -0.18 1.07 0.08 0.02 0.00 0.00 175.26 176.25 2yro s VAL 39 N 1.56 3.59 0.10 2.63 1.01 -0.69 -0.12 120.40 128.48 2yro s VAL 39 Ca -0.08 0.99 -0.21 0.00 0.00 0.00 0.00 61.98 62.68 2yro s VAL 39 Cb -0.10 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 2yro s VAL 39 CO -0.11 -0.21 0.63 0.20 0.00 0.00 0.00 175.10 175.61 2yro s ASN 40 N -1.91 7.16 0.27 3.32 0.01 -1.24 -1.30 114.94 121.25 2yro s ASN 40 Ca 0.69 1.38 -0.06 0.00 -0.71 0.00 0.00 52.86 54.16 2yro s ASN 40 Cb -0.19 -2.40 0.50 0.00 0.41 0.00 0.00 41.25 39.57 2yro s ASN 40 CO 0.22 0.26 1.59 0.00 -1.51 0.00 0.00 177.10 177.66 2yro h ALA 41 N 4.48 0.80 -0.97 0.60 0.00 -1.93 0.65 119.26 122.88 2yro h ALA 41 Ca -0.49 0.32 -0.60 0.00 0.00 0.00 0.00 54.91 54.14 2yro h ALA 41 Cb 1.21 0.58 -0.30 0.00 0.00 0.00 0.00 17.79 19.29 2yro h ALA 41 CO 0.64 -0.45 0.71 0.09 0.00 0.00 0.00 179.25 180.25 2yro n ASN 42 N -5.48 5.90 -4.68 0.00 4.13 -1.26 -4.67 115.26 109.19 2yro n ASN 42 Ca 0.16 -3.72 -0.42 0.00 1.68 0.00 0.00 54.58 52.28 2yro n ASN 42 Cb 0.54 -0.90 -0.03 0.00 -1.54 0.00 0.00 39.78 37.86 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yro s ALA 43 N -3.60 3.52 -0.07 5.41 0.00 0.23 -4.95 121.76 122.30 2yro s ALA 43 Ca 0.61 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 53.08 2yro s ALA 43 Cb 0.49 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 2yro s ALA 43 CO 0.04 -0.83 0.38 -0.22 0.00 0.00 0.00 175.76 175.13 2yro h LYS 44 N 7.59 -0.26 -1.21 0.00 3.64 -1.88 -3.47 116.57 120.99 2yro h LYS 44 Ca -0.33 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.24 2yro h LYS 44 Cb 1.15 0.06 -0.28 0.00 -0.41 0.00 0.00 32.23 32.75 2yro h LYS 44 CO 0.89 -0.11 0.80 -1.54 -2.27 0.00 0.00 179.45 177.23 2yro s SER 45 N -5.28 -0.15 0.49 4.20 1.04 -1.26 -3.87 113.70 108.87 2yro s SER 45 Ca -0.05 0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.63 2yro s SER 45 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 2yro s SER 45 CO 0.17 -0.09 0.09 0.72 0.98 0.00 0.00 173.24 175.11 2yro s PHE 46 N -0.55 2.00 -0.06 5.02 -0.71 -1.26 -2.97 117.98 119.45 2yro s PHE 46 Ca 0.06 -0.85 -0.29 0.00 -1.04 0.00 0.00 56.93 54.81 2yro s PHE 46 Cb -0.03 -1.73 0.07 0.00 -1.21 0.00 0.00 43.02 40.12 2yro s PHE 46 CO -0.09 0.14 0.65 0.54 -1.34 0.00 0.00 175.22 175.12 2yro s ASN 47 N -3.92 -0.62 -0.28 1.98 4.22 0.20 -3.03 114.94 113.49 2yro s ASN 47 Ca 0.19 0.71 0.02 0.00 -2.14 0.00 0.00 52.86 51.64 2yro s ASN 47 Cb 0.02 0.59 0.07 0.00 1.28 0.00 0.00 41.25 43.21 2yro s ASN 47 CO 0.10 -0.57 -0.04 -0.69 -2.04 0.00 0.00 177.10 173.86 2yro s VAL 48 N -1.08 1.95 -0.47 3.54 1.01 -0.60 -1.97 120.40 122.78 2yro s VAL 48 Ca -0.10 -1.69 -0.18 0.00 0.00 0.00 0.00 61.98 60.01 2yro s VAL 48 Cb -0.01 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.20 2yro s VAL 48 CO 0.09 -0.22 0.56 -1.81 0.00 0.00 0.00 175.10 173.71 2yro s ASP 49 N 1.16 6.22 -0.44 3.32 1.01 -0.30 -2.73 116.67 124.92 2yro s ASP 49 Ca -0.02 -0.83 -0.14 0.00 0.71 0.00 0.00 52.55 52.27 2yro s ASP 49 Cb -0.19 -2.27 0.05 0.00 1.01 0.00 0.00 42.92 41.53 2yro s ASP 49 CO -0.07 -0.78 0.33 -0.22 0.21 0.00 0.00 175.17 174.64 2yro s LEU 50 N 2.43 5.31 0.42 1.23 2.96 -0.47 -1.65 118.68 128.90 2yro s LEU 50 Ca 0.14 -1.20 0.04 0.00 -0.22 0.00 0.00 54.13 52.89 2yro s LEU 50 Cb -0.19 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 2yro s LEU 50 CO 0.13 -0.55 0.04 -1.48 -1.32 0.00 0.00 176.35 173.17 2yro s LEU 51 N 1.61 2.38 -0.07 -0.68 0.05 -1.23 -0.45 118.68 120.29 2yro s LEU 51 Ca 0.04 -1.52 0.01 0.00 0.05 0.00 0.00 54.13 52.70 2yro s LEU 51 Cb -0.22 -0.59 -0.03 0.00 -2.05 0.00 0.00 46.19 43.30 2yro s LEU 51 CO 0.07 -0.70 -0.06 0.00 -0.55 0.00 0.00 176.35 175.10 2yro s ALA 52 N -2.98 3.01 -1.27 1.48 0.00 -1.03 -3.09 121.76 117.89 2yro s ALA 52 Ca 0.24 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2yro s ALA 52 Cb 0.06 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2yro s ALA 52 CO 0.12 0.57 0.55 0.41 0.00 0.00 0.00 175.76 177.42 2yro n GLY 53 N 2.21 0.73 0.14 0.00 0.00 -1.26 -1.71 105.19 105.30 2yro n GLY 53 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2yro n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yro n LYS 54 N -0.09 0.52 -0.56 1.61 4.81 -1.26 -4.74 118.16 118.44 2yro n LYS 54 Ca 0.00 0.21 0.07 0.00 -0.87 0.00 0.00 58.31 57.71 2yro n LYS 54 Cb 0.16 -1.40 0.18 0.00 0.02 0.00 0.00 35.03 33.98 2yro n LYS 54 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2yro n SER 55 N -4.38 1.74 -3.88 3.14 3.41 -1.24 -4.98 113.62 107.43 2yro n SER 55 Ca -0.20 -3.55 -0.26 0.00 -0.26 0.00 0.00 58.87 54.60 2yro n SER 55 Cb 0.56 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 2yro n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2yro n LYS 56 N -1.03 -0.91 -3.95 4.33 4.01 -0.69 -4.88 118.16 115.04 2yro n LYS 56 Ca 0.17 0.08 -0.35 0.00 -0.51 0.00 0.00 58.31 57.70 2yro n LYS 56 Cb 0.72 -2.94 -0.14 0.00 -0.51 0.00 0.00 35.03 32.16 2yro n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2yro s ASP 57 N -3.75 4.42 -0.57 4.39 1.01 -1.25 -4.87 116.67 116.05 2yro s ASP 57 Ca 0.15 -0.35 -0.27 0.00 0.71 0.00 0.00 52.55 52.79 2yro s ASP 57 Cb -0.09 -1.76 -0.02 0.00 1.01 0.00 0.00 42.92 42.06 2yro s ASP 57 CO 0.77 -0.00 1.85 -0.63 0.21 0.00 0.00 175.17 177.37 2yro s ILE 58 N 1.38 3.38 0.17 0.77 1.01 -0.71 -2.46 121.20 124.74 2yro s ILE 58 Ca 0.05 0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.82 2yro s ILE 58 Cb -0.14 -3.90 0.06 0.00 0.01 0.00 0.00 42.46 38.49 2yro s ILE 58 CO -0.02 -0.83 1.73 0.00 0.00 0.00 0.00 174.94 175.82 2yro h ALA 59 N 14.71 0.73 -3.32 9.38 0.00 -1.02 -2.83 119.26 136.90 2yro h ALA 59 Ca -0.27 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 2yro h ALA 59 Cb 1.16 -0.22 -0.28 0.00 0.00 0.00 0.00 17.79 18.45 2yro h ALA 59 CO 1.19 0.32 -0.56 -1.17 0.00 0.00 0.00 179.25 179.03 2yro s LEU 60 N -9.81 1.17 -0.25 0.00 2.96 -1.02 -4.13 118.68 107.61 2yro s LEU 60 Ca -0.13 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2yro s LEU 60 Cb 0.12 0.46 0.08 0.00 0.50 0.00 0.00 46.19 47.36 2yro s LEU 60 CO 0.78 -0.09 0.06 -2.28 -1.32 0.00 0.00 176.35 173.51 2yro s HIS 61 N 0.48 1.29 -0.30 5.38 5.65 0.10 -1.37 115.29 126.52 2yro s HIS 61 Ca -0.03 -1.23 -0.02 0.00 0.25 0.00 0.00 55.06 54.03 2yro s HIS 61 Cb -0.05 -1.29 0.05 0.00 -1.18 0.00 0.00 32.58 30.11 2yro s HIS 61 CO -0.02 -0.74 0.00 -0.51 -0.65 0.00 0.00 174.74 172.82 2yro s LEU 62 N 1.77 3.89 -0.39 8.88 1.43 -1.10 -0.57 118.68 132.58 2yro s LEU 62 Ca 0.03 -1.24 0.01 0.00 -1.03 0.00 0.00 54.13 51.90 2yro s LEU 62 Cb -0.17 -1.72 0.11 0.00 0.03 0.00 0.00 46.19 44.44 2yro s LEU 62 CO -0.17 -0.26 0.15 0.21 0.23 0.00 0.00 176.35 176.51 2yro s ASN 63 N 1.27 4.97 1.05 2.29 3.84 0.28 -1.55 114.94 127.08 2yro s ASN 63 Ca -0.05 -2.19 -0.14 0.00 0.21 0.00 0.00 52.86 50.69 2yro s ASN 63 Cb -0.20 -1.72 0.21 0.00 -0.55 0.00 0.00 41.25 38.99 2yro s ASN 63 CO -0.01 -0.44 1.10 -2.16 -2.79 0.00 0.00 177.10 172.80 2yro s PRO 64 N 0.88 0.01 -0.13 0.43 0.04 -1.17 -2.69 135.00 132.37 2yro s PRO 64 Ca 0.10 0.37 -0.07 0.00 0.04 0.00 0.00 61.00 61.45 2yro s PRO 64 Cb -0.21 -1.70 0.05 0.00 0.04 0.00 0.00 34.50 32.68 2yro s PRO 64 CO -0.06 -2.98 0.32 1.03 0.04 0.00 0.00 177.00 175.35 2yro s ARG 65 N -5.05 0.30 -0.21 4.56 0.52 -0.94 -4.17 118.95 113.96 2yro s ARG 65 Ca 0.67 0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 56.43 2yro s ARG 65 Cb -0.17 -0.06 -0.20 0.00 0.52 0.00 0.00 34.95 35.05 2yro s ARG 65 CO 0.57 -0.15 0.03 1.28 0.02 0.00 0.00 175.30 177.05 2yro n LEU 66 N 4.13 2.51 0.00 2.53 4.77 -1.25 -2.46 117.00 127.24 2yro n LEU 66 Ca -0.24 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2yro n LEU 66 Cb 0.54 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2yro n LEU 66 CO 0.12 0.74 0.45 -3.20 -1.33 0.00 0.00 177.39 174.17 2yro n ASN 67 N -3.69 0.00 0.02 -1.43 2.85 -1.26 -1.61 115.26 110.13 2yro n ASN 67 Ca -0.40 0.89 0.12 0.00 -0.11 0.00 0.00 54.58 55.08 2yro n ASN 67 Cb 0.94 -0.41 0.31 0.00 1.24 0.00 0.00 39.78 41.87 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2yro n ILE 68 N -2.64 0.11 -3.02 -1.44 -0.00 -1.26 -4.96 119.36 106.14 2yro n ILE 68 Ca 0.00 -0.07 -0.13 0.00 -0.00 0.00 0.00 62.75 62.55 2yro n ILE 68 Cb 0.00 -0.02 0.05 0.00 -0.00 0.00 0.00 39.64 39.68 2yro n ILE 68 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2yro n LYS 69 N -1.67 -4.50 -5.17 6.28 4.76 -0.63 -5.03 118.16 112.20 2yro n LYS 69 Ca 0.05 0.52 -0.32 0.00 -2.87 0.00 0.00 58.31 55.69 2yro n LYS 69 Cb 0.36 -4.59 -0.16 0.00 -1.84 0.00 0.00 35.03 28.80 2yro n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yro s ALA 70 N -3.21 2.26 -0.16 7.82 0.00 -1.03 -4.64 121.76 122.81 2yro s ALA 70 Ca 0.17 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 2yro s ALA 70 Cb -0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2yro s ALA 70 CO 0.45 0.39 0.53 0.12 0.00 0.00 0.00 175.76 177.26 2yro s PHE 71 N -0.09 3.44 -0.21 0.00 2.19 -1.26 -2.20 117.98 119.85 2yro s PHE 71 Ca -0.05 0.88 -0.03 0.00 0.33 0.00 0.00 56.93 58.06 2yro s PHE 71 Cb -0.14 -2.66 -0.01 0.00 -1.31 0.00 0.00 43.02 38.90 2yro s PHE 71 CO 0.04 0.01 -0.06 0.08 1.83 0.00 0.00 175.22 177.12 2yro s VAL 72 N 1.22 3.29 -0.09 3.12 1.01 -1.10 -4.38 120.40 123.48 2yro s VAL 72 Ca 0.27 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2yro s VAL 72 Cb -0.16 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2yro s VAL 72 CO 0.11 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 175.51 2yro s ARG 73 N 1.33 2.01 0.36 2.72 1.70 -1.26 -0.56 118.95 125.25 2yro s ARG 73 Ca 0.04 -0.50 -0.15 0.00 -0.47 0.00 0.00 55.73 54.65 2yro s ARG 73 Cb -0.14 -1.69 0.04 0.00 -0.57 0.00 0.00 34.95 32.59 2yro s ARG 73 CO -0.03 -0.02 0.75 1.21 -1.08 0.00 0.00 175.30 176.13 2yro s ASN 74 N 0.84 0.04 0.04 -2.89 2.47 0.27 -4.49 114.94 111.22 2yro s ASN 74 Ca -0.10 -1.09 -0.01 0.00 0.42 0.00 0.00 52.86 52.08 2yro s ASN 74 Cb -0.15 0.81 -0.03 0.00 -1.45 0.00 0.00 41.25 40.43 2yro s ASN 74 CO 0.01 -1.60 -0.03 -0.55 -3.72 0.00 0.00 177.10 171.21 2yro s SER 75 N -3.06 0.44 -0.30 -4.21 0.15 -1.26 0.02 113.70 105.47 2yro s SER 75 Ca 0.16 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2yro s SER 75 Cb -0.05 0.17 0.10 0.00 -1.71 0.00 0.00 66.02 64.53 2yro s SER 75 CO 0.11 -0.52 0.08 0.12 1.20 0.00 0.00 173.24 174.23 2yro s PHE 76 N -3.28 2.10 -0.00 3.44 5.36 -1.07 -2.13 117.98 122.39 2yro s PHE 76 Ca 0.01 -1.92 0.07 0.00 -0.96 0.00 0.00 56.93 54.13 2yro s PHE 76 Cb 0.03 -1.89 -0.03 0.00 -0.34 0.00 0.00 43.02 40.80 2yro s PHE 76 CO -0.08 -0.87 -0.22 -0.51 -1.46 0.00 0.00 175.22 172.08 2yro s LEU 77 N 1.48 2.31 -1.65 6.12 1.43 -0.01 -1.73 118.68 126.63 2yro s LEU 77 Ca 0.08 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 2yro s LEU 77 Cb -0.18 -1.40 0.13 0.00 0.03 0.00 0.00 46.19 44.77 2yro s LEU 77 CO -0.20 0.30 0.78 0.00 0.23 0.00 0.00 176.35 177.46 2yro n GLN 78 N 2.10 -3.49 -3.59 1.70 6.02 -1.26 -0.05 117.38 118.82 2yro n GLN 78 Ca -0.16 0.40 -0.23 0.00 -0.01 0.00 0.00 57.00 57.00 2yro n GLN 78 Cb 0.52 -5.09 0.08 0.00 1.02 0.00 0.00 30.24 26.76 2yro n GLN 78 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2yro n GLU 79 N -4.43 -7.59 -3.79 -1.09 1.02 -1.26 -5.00 120.64 98.50 2yro n GLU 79 Ca 0.03 0.82 -0.13 0.00 -0.02 0.00 0.00 57.16 57.86 2yro n GLU 79 Cb 0.51 -5.86 -0.13 0.00 -0.02 0.00 0.00 31.44 25.94 2yro n GLU 79 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yro s SER 80 N -3.52 -0.14 -0.06 1.62 0.01 0.93 -5.15 113.70 107.39 2yro s SER 80 Ca 0.48 0.30 -0.10 0.00 1.31 0.00 0.00 55.95 57.93 2yro s SER 80 Cb -0.21 0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.22 2yro s SER 80 CO 0.74 -0.09 0.26 0.26 0.41 0.00 0.00 173.24 174.82 2yro s TRP 81 N 0.54 3.65 0.00 2.43 0.52 -1.26 -0.83 118.94 123.99 2yro s TRP 81 Ca -0.04 0.72 0.00 0.00 0.02 0.00 0.00 56.10 56.81 2yro s TRP 81 Cb -0.05 -2.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.18 2yro s TRP 81 CO -0.03 0.69 0.00 0.41 0.02 0.00 0.00 176.95 178.04 2yro n GLY 82 N 1.81 -0.03 3.31 0.98 0.00 -0.91 -5.02 105.19 105.34 2yro n GLY 82 Ca -0.17 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2yro n GLY 82 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yro s GLU 83 N 0.00 2.70 -0.11 1.61 -1.05 -1.26 -5.00 118.70 115.59 2yro s GLU 83 Ca 0.00 -0.84 -0.03 0.00 -0.15 0.00 0.00 54.97 53.95 2yro s GLU 83 Cb 0.00 -2.27 -0.03 0.00 -0.44 0.00 0.00 34.13 31.38 2yro s GLU 83 CO 0.00 0.38 -0.00 -1.21 0.95 0.00 0.00 175.26 175.38 2yro s GLU 84 N -0.14 3.26 -0.00 -4.83 2.02 -1.26 -4.68 118.70 113.06 2yro s GLU 84 Ca -0.03 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 2yro s GLU 84 Cb -0.14 -2.86 -0.00 0.00 0.10 0.00 0.00 34.13 31.22 2yro s GLU 84 CO 0.04 0.54 0.03 -1.21 0.02 0.00 0.00 175.26 174.68 2yro s GLU 85 N -0.43 0.18 -0.30 1.61 0.41 -1.26 -5.08 118.70 113.83 2yro s GLU 85 Ca 0.08 -0.19 0.02 0.00 -0.41 0.00 0.00 54.97 54.47 2yro s GLU 85 Cb -0.12 0.07 0.07 0.00 -1.78 0.00 0.00 34.13 32.37 2yro s GLU 85 CO 0.02 -0.03 -0.02 1.03 -0.49 0.00 0.00 175.26 175.77 2yro s ARG 86 N -0.57 2.04 -0.30 1.61 0.52 -1.26 -4.43 118.95 116.56 2yro s ARG 86 Ca -0.06 -1.52 -0.13 0.00 -0.52 0.00 0.00 55.73 53.49 2yro s ARG 86 Cb -0.04 -3.09 0.16 0.00 0.52 0.00 0.00 34.95 32.50 2yro s ARG 86 CO -0.00 -0.73 0.93 1.21 0.02 0.00 0.00 175.30 176.73 2yro s ASN 87 N 1.13 -0.69 -0.03 0.23 3.84 -1.26 -5.00 114.94 113.16 2yro s ASN 87 Ca -0.01 0.84 -0.17 0.00 0.21 0.00 0.00 52.86 53.73 2yro s ASN 87 Cb -0.20 1.74 0.03 0.00 -0.55 0.00 0.00 41.25 42.27 2yro s ASN 87 CO -0.05 -0.13 0.37 0.27 -2.79 0.00 0.00 177.10 174.77 2yro s ILE 88 N 2.59 0.04 0.05 -5.21 -4.36 -1.26 -4.89 121.20 108.17 2yro s ILE 88 Ca -0.01 -0.36 -0.24 0.00 -0.26 0.00 0.00 60.65 59.78 2yro s ILE 88 Cb -0.08 -0.66 -0.16 0.00 1.25 0.00 0.00 42.46 42.80 2yro s ILE 88 CO -0.17 -0.20 1.58 0.74 0.24 0.00 0.00 174.94 177.13 2yro h THR 89 N 3.80 1.14 -2.49 8.37 2.02 -1.98 -3.46 112.91 120.31 2yro h THR 89 Ca -0.29 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 2yro h THR 89 Cb 1.17 1.39 -0.22 0.00 -1.74 0.00 0.00 68.15 68.76 2yro h THR 89 CO 0.39 0.11 -0.08 -0.55 0.37 0.00 0.00 175.52 175.75 2yro s SER 90 N -5.39 -0.50 -0.51 4.18 0.15 -1.26 -5.13 113.70 105.25 2yro s SER 90 Ca -0.14 0.82 -0.19 0.00 0.70 0.00 0.00 55.95 57.14 2yro s SER 90 Cb 0.05 0.84 0.06 0.00 -1.71 0.00 0.00 66.02 65.26 2yro s SER 90 CO 0.67 -0.31 0.60 0.12 1.20 0.00 0.00 173.24 175.52 2yro s PHE 91 N -0.28 3.07 -0.02 3.44 5.36 -1.26 -4.94 117.98 123.35 2yro s PHE 91 Ca -0.04 -0.63 -0.25 0.00 -0.96 0.00 0.00 56.93 55.04 2yro s PHE 91 Cb -0.03 -3.53 -0.19 0.00 -0.34 0.00 0.00 43.02 38.93 2yro s PHE 91 CO 0.03 -1.02 1.21 -1.00 -1.46 0.00 0.00 175.22 172.98 2yro h PRO 92 N 8.97 -0.09 -5.13 10.12 0.13 -1.97 -3.45 132.00 140.58 2yro h PRO 92 Ca -0.28 0.01 -0.64 0.00 -0.87 0.00 0.00 66.00 64.21 2yro h PRO 92 Cb 1.10 0.02 0.06 0.00 0.13 0.00 0.00 31.00 32.30 2yro h PRO 92 CO 0.96 0.37 -0.10 1.19 -0.23 0.00 0.00 178.00 180.19 2yro n PHE 93 N -4.91 0.26 -3.86 1.56 3.72 -1.26 -4.96 117.46 108.01 2yro n PHE 93 Ca -0.08 0.88 -0.11 0.00 -0.05 0.00 0.00 57.45 58.08 2yro n PHE 93 Cb 0.25 -1.75 -0.10 0.00 -0.94 0.00 0.00 39.48 36.93 2yro n PHE 93 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2yro s SER 94 N -0.26 -0.01 0.06 4.37 0.01 -1.26 -4.97 113.70 111.64 2yro s SER 94 Ca 0.71 -0.10 -0.31 0.00 1.31 0.00 0.00 55.95 57.56 2yro s SER 94 Cb -1.00 0.23 -0.07 0.00 0.21 0.00 0.00 66.02 65.39 2yro s SER 94 CO 0.48 -0.30 1.40 -2.16 0.41 0.00 0.00 173.24 173.07 2yro s PRO 95 N -1.08 4.30 -0.30 12.44 0.04 -1.26 -3.45 135.00 145.70 2yro s PRO 95 Ca -0.12 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 2yro s PRO 95 Cb -0.06 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2yro s PRO 95 CO 0.01 -0.50 0.25 0.41 0.04 0.00 0.00 177.00 177.21 2yro n GLY 96 N 3.57 0.37 3.32 0.56 0.00 -0.42 -4.65 105.19 107.94 2yro n GLY 96 Ca 0.12 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 2yro n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yro s MET 97 N -4.66 1.33 -0.49 1.61 0.23 -1.22 -4.94 119.30 111.16 2yro s MET 97 Ca 0.05 -1.54 -0.14 0.00 -1.03 0.00 0.00 55.69 53.03 2yro s MET 97 Cb -0.02 0.33 0.10 0.00 -1.53 0.00 0.00 34.83 33.71 2yro s MET 97 CO 0.17 -0.48 0.40 -0.47 -2.03 0.00 0.00 175.02 172.62 2yro s TYR 98 N -4.07 3.28 -0.16 3.16 6.14 -1.26 -1.70 117.35 122.74 2yro s TYR 98 Ca 0.34 -1.22 -0.07 0.00 0.64 0.00 0.00 57.07 56.76 2yro s TYR 98 Cb 0.05 -3.37 -0.04 0.00 0.42 0.00 0.00 41.96 39.02 2yro s TYR 98 CO 0.12 -0.89 0.08 -0.59 0.64 0.00 0.00 175.55 174.91 2yro s PHE 99 N 1.57 3.35 -0.22 4.97 -0.12 -1.21 -4.93 117.98 121.39 2yro s PHE 99 Ca 0.04 0.24 0.02 0.00 -0.05 0.00 0.00 56.93 57.18 2yro s PHE 99 Cb -0.26 -2.03 0.04 0.00 -0.63 0.00 0.00 43.02 40.15 2yro s PHE 99 CO 0.04 0.35 -0.14 -2.00 -0.05 0.00 0.00 175.22 173.43 2yro s GLU 100 N -0.11 2.43 -0.16 1.99 2.12 -1.26 -3.45 118.70 120.26 2yro s GLU 100 Ca 0.08 -1.04 -0.13 0.00 0.36 0.00 0.00 54.97 54.24 2yro s GLU 100 Cb -0.12 -2.65 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 2yro s GLU 100 CO 0.01 -0.41 0.26 1.41 -0.54 0.00 0.00 175.26 175.99 2yro s MET 101 N 1.24 4.20 -0.21 4.30 -2.45 -1.14 -2.13 119.30 123.11 2yro s MET 101 Ca -0.02 0.04 -0.00 0.00 -1.25 0.00 0.00 55.69 54.45 2yro s MET 101 Cb -0.17 -3.41 0.02 0.00 1.25 0.00 0.00 34.83 32.53 2yro s MET 101 CO -0.09 0.29 -0.14 0.42 1.05 0.00 0.00 175.02 176.56 2yro s ILE 102 N 0.33 2.46 -0.39 10.11 1.01 -0.48 -1.13 121.20 133.10 2yro s ILE 102 Ca 0.15 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 2yro s ILE 102 Cb -0.13 -2.13 0.08 0.00 0.01 0.00 0.00 42.46 40.29 2yro s ILE 102 CO 0.03 0.40 0.19 -0.63 0.00 0.00 0.00 174.94 174.93 2yro s ILE 103 N 1.31 3.72 0.01 2.92 1.01 0.02 -2.20 121.20 127.99 2yro s ILE 103 Ca 0.03 -1.57 0.04 0.00 0.00 0.00 0.00 60.65 59.14 2yro s ILE 103 Cb -0.15 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 2yro s ILE 103 CO -0.09 -0.47 -0.08 -0.47 0.00 0.00 0.00 174.94 173.83 2yro s TYR 104 N 1.31 2.85 -0.28 3.97 5.04 -1.22 -0.67 117.35 128.35 2yro s TYR 104 Ca 0.03 -0.07 -0.06 0.00 -2.44 0.00 0.00 57.07 54.53 2yro s TYR 104 Cb -0.22 -1.59 0.00 0.00 0.35 0.00 0.00 41.96 40.50 2yro s TYR 104 CO -0.00 0.36 0.06 0.00 -1.34 0.00 0.00 175.55 174.62 2yro n ASP 106 N 4.85 3.85 -1.93 0.00 -0.08 -1.25 0.49 116.55 122.49 2yro n ASP 106 Ca -0.15 -3.50 -0.13 0.00 -1.51 0.00 0.00 54.79 49.50 2yro n ASP 106 Cb 0.49 -0.76 -0.03 0.00 2.34 0.00 0.00 41.12 43.15 2yro n ASP 106 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2yro n VAL 107 N -0.82 -0.32 0.00 5.18 0.31 -1.26 -4.63 118.33 116.78 2yro n VAL 107 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 2yro n VAL 107 Cb 1.44 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 2yro n VAL 107 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2yro n ARG 108 N -2.37 0.56 -3.78 5.55 5.12 -1.26 -5.12 116.66 115.37 2yro n ARG 108 Ca -0.15 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.78 2yro n ARG 108 Cb 0.53 -0.63 0.01 0.00 -1.16 0.00 0.00 32.46 31.22 2yro n ARG 108 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2yro n GLU 109 N -1.28 0.32 -3.35 5.56 0.28 -1.26 -3.71 120.64 117.20 2yro n GLU 109 Ca 0.00 -0.94 -0.44 0.00 -0.16 0.00 0.00 57.16 55.62 2yro n GLU 109 Cb 0.13 1.42 -0.08 0.00 1.43 0.00 0.00 31.44 34.34 2yro n GLU 109 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2yro s PHE 110 N -2.20 3.20 0.37 -1.84 0.08 0.65 -3.87 117.98 114.37 2yro s PHE 110 Ca 0.26 -0.78 -0.07 0.00 0.12 0.00 0.00 56.93 56.45 2yro s PHE 110 Cb -0.01 -3.16 -0.05 0.00 -0.57 0.00 0.00 43.02 39.22 2yro s PHE 110 CO 0.01 -0.81 0.68 0.15 -0.10 0.00 0.00 175.22 175.15 2yro s LYS 111 N 1.87 3.67 -0.19 0.44 1.02 -1.12 -2.60 119.74 122.84 2yro s LYS 111 Ca 0.07 0.21 -0.12 0.00 0.02 0.00 0.00 55.97 56.15 2yro s LYS 111 Cb -0.22 -2.50 0.06 0.00 -0.52 0.00 0.00 37.83 34.64 2yro s LYS 111 CO 0.08 0.05 0.46 0.54 -0.92 0.00 0.00 175.35 175.56 2yro s VAL 112 N -2.31 -0.02 -0.00 3.17 0.11 -1.25 -3.37 120.40 116.73 2yro s VAL 112 Ca 0.47 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.61 2yro s VAL 112 Cb -0.10 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.07 2yro s VAL 112 CO 0.33 0.02 -0.10 0.00 -3.33 0.00 0.00 175.10 172.02 2yro s ALA 113 N 1.14 0.85 -0.15 1.54 0.00 -0.93 -2.59 121.76 121.62 2yro s ALA 113 Ca -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.42 2yro s ALA 113 Cb -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.85 2yro s ALA 113 CO -0.10 0.20 -0.18 0.08 0.00 0.00 0.00 175.76 175.76 2yro s VAL 114 N -0.32 2.45 -1.21 0.00 1.01 0.12 -1.39 120.40 121.06 2yro s VAL 114 Ca 0.03 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 2yro s VAL 114 Cb -0.04 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.32 2yro s VAL 114 CO -0.00 0.53 0.75 0.59 0.00 0.00 0.00 175.10 176.97 2yro n ASN 115 N 4.07 -5.50 -1.72 3.32 4.13 -0.91 -2.38 115.26 116.27 2yro n ASN 115 Ca -0.19 -0.34 -0.13 0.00 1.68 0.00 0.00 54.58 55.59 2yro n ASN 115 Cb 0.52 -4.22 0.01 0.00 -1.54 0.00 0.00 39.78 34.55 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yro n GLY 116 N -1.58 -0.05 3.13 7.41 0.00 -1.26 -5.01 105.19 107.83 2yro n GLY 116 Ca -0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2yro n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yro s VAL 117 N -2.82 -0.60 0.37 1.61 1.01 -1.00 -5.07 120.40 113.89 2yro s VAL 117 Ca 0.13 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 2yro s VAL 117 Cb -0.06 -0.67 -0.11 0.00 0.00 0.00 0.00 36.38 35.54 2yro s VAL 117 CO 0.16 0.02 1.39 1.57 0.00 0.00 0.00 175.10 178.24 2yro n HIS 118 N 5.38 2.62 -0.02 5.22 -0.00 -1.26 -0.70 115.22 126.45 2yro n HIS 118 Ca -0.07 0.50 -0.03 0.00 0.46 0.00 0.00 57.72 58.58 2yro n HIS 118 Cb 0.50 -2.47 -0.01 0.00 -0.12 0.00 0.00 29.99 27.89 2yro n HIS 118 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2yro n SER 119 N 0.54 0.80 -4.13 0.26 7.64 -1.07 -4.84 113.62 112.81 2yro n SER 119 Ca 0.03 0.13 -0.11 0.00 1.01 0.00 0.00 58.87 59.93 2yro n SER 119 Cb 0.38 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.03 2yro n SER 119 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2yro s LEU 120 N -6.26 1.22 0.03 -3.43 -0.00 -1.26 -4.97 118.68 104.02 2yro s LEU 120 Ca -0.09 -1.22 0.08 0.00 -0.00 0.00 0.00 54.13 52.90 2yro s LEU 120 Cb 0.01 0.61 -0.03 0.00 -0.00 0.00 0.00 46.19 46.78 2yro s LEU 120 CO 0.13 -0.85 -0.23 -1.61 -0.00 0.00 0.00 176.35 173.80 2yro s GLU 121 N -4.09 1.97 -0.23 1.48 8.01 -1.26 -4.01 118.70 120.58 2yro s GLU 121 Ca 0.30 -1.02 -0.02 0.00 0.01 0.00 0.00 54.97 54.23 2yro s GLU 121 Cb 0.06 -2.08 0.07 0.00 -4.31 0.00 0.00 34.13 27.87 2yro s GLU 121 CO 0.07 0.53 0.05 -0.47 0.01 0.00 0.00 175.26 175.46 2yro s TYR 122 N -0.82 1.18 0.53 1.61 5.04 -1.07 -5.04 117.35 118.77 2yro s TYR 122 Ca 0.12 -1.09 -0.18 0.00 -2.44 0.00 0.00 57.07 53.49 2yro s TYR 122 Cb -0.10 -1.19 -0.13 0.00 0.35 0.00 0.00 41.96 40.89 2yro s TYR 122 CO 0.03 -0.69 0.03 1.63 -1.34 0.00 0.00 175.55 175.21 2yro n LYS 123 N 5.00 0.13 -1.56 4.97 5.02 -1.26 -0.25 118.16 130.21 2yro n LYS 123 Ca -0.07 0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 2yro n LYS 123 Cb 0.46 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 2yro n LYS 123 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2yro n HIS 124 N -1.57 1.20 0.21 2.13 8.25 -1.24 -4.36 115.22 119.84 2yro n HIS 124 Ca 0.09 0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.41 2yro n HIS 124 Cb 0.47 -2.59 -0.08 0.00 1.12 0.00 0.00 29.99 28.91 2yro n HIS 124 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2yro h ARG 125 N 14.13 -0.51 -6.29 -0.41 9.65 -1.82 -3.40 114.38 125.73 2yro h ARG 125 Ca -0.05 0.03 -0.58 0.00 -1.10 0.00 0.00 59.98 58.29 2yro h ARG 125 Cb 1.06 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 29.68 2yro h ARG 125 CO 1.05 -0.25 0.77 0.12 2.80 0.00 0.00 179.97 184.46 2yro s PHE 126 N -5.40 3.08 0.26 2.20 5.36 -1.26 -4.92 117.98 117.29 2yro s PHE 126 Ca -0.15 0.98 -0.05 0.00 -0.96 0.00 0.00 56.93 56.74 2yro s PHE 126 Cb 0.03 -3.79 0.29 0.00 -0.34 0.00 0.00 43.02 39.21 2yro s PHE 126 CO 0.59 -0.86 1.92 0.87 -1.46 0.00 0.00 175.22 176.28 2yro h LYS 127 N 8.39 1.25 -6.10 10.12 1.79 -1.98 -3.37 116.57 126.68 2yro h LYS 127 Ca -0.22 -0.10 -0.57 0.00 -2.18 0.00 0.00 60.65 57.59 2yro h LYS 127 Cb 1.07 -0.27 -0.10 0.00 -1.58 0.00 0.00 32.23 31.35 2yro h LYS 127 CO 1.03 0.86 0.92 -2.00 -1.08 0.00 0.00 179.45 179.18 2yro s GLU 128 N -5.99 3.17 0.08 3.15 2.56 -1.26 -4.84 118.70 115.57 2yro s GLU 128 Ca -0.13 -0.42 -0.05 0.00 0.00 0.00 0.00 54.97 54.37 2yro s GLU 128 Cb 0.18 -4.21 -0.25 0.00 2.00 0.00 0.00 34.13 31.84 2yro s GLU 128 CO 0.82 -2.06 1.16 -0.07 -0.56 0.00 0.00 175.26 174.55 2yro h LEU 129 N 12.56 0.48 -2.68 2.70 3.38 -1.93 -3.26 115.31 126.56 2yro h LEU 129 Ca -0.27 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 57.08 2yro h LEU 129 Cb 1.06 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2yro h LEU 129 CO 1.25 1.36 0.17 -1.20 0.09 0.00 0.00 178.44 180.11 2yro n SER 130 N -3.59 3.95 -0.02 -0.43 7.64 -1.25 -2.72 113.62 117.20 2yro n SER 130 Ca -0.09 -2.47 -0.03 0.00 1.01 0.00 0.00 58.87 57.29 2yro n SER 130 Cb 0.99 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 63.45 2yro n SER 130 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yro n SER 131 N 0.36 3.77 -4.55 6.43 2.88 -1.23 -4.69 113.62 116.59 2yro n SER 131 Ca 0.14 -0.02 -0.38 0.00 -1.33 0.00 0.00 58.87 57.28 2yro n SER 131 Cb 0.70 0.08 -0.04 0.00 -0.75 0.00 0.00 64.21 64.19 2yro n SER 131 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2yro n ILE 132 N -2.52 -0.03 -0.01 2.46 5.41 -1.24 -4.28 119.36 119.15 2yro n ILE 132 Ca -0.07 -0.68 -0.01 0.00 1.00 0.00 0.00 62.75 62.99 2yro n ILE 132 Cb 0.59 -2.52 -0.03 0.00 -0.71 0.00 0.00 39.64 36.98 2yro n ILE 132 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2yro n ASP 133 N 14.86 4.22 -4.89 4.38 5.68 -1.26 -2.27 116.55 137.28 2yro n ASP 133 Ca 0.40 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 54.35 2yro n ASP 133 Cb 0.48 0.66 -0.05 0.00 -1.14 0.00 0.00 41.12 41.07 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2yro s THR 134 N -2.10 5.31 -0.20 2.12 2.01 -1.18 0.33 115.64 121.93 2yro s THR 134 Ca -0.02 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 2yro s THR 134 Cb 0.01 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 69.01 2yro s THR 134 CO 0.13 0.31 0.04 -0.22 -0.69 0.00 0.00 174.62 174.19 2yro s LEU 135 N -1.93 1.17 -0.12 4.42 2.96 0.12 -3.54 118.68 121.76 2yro s LEU 135 Ca 0.29 -0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 2yro s LEU 135 Cb -0.13 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 2yro s LEU 135 CO 0.18 -0.32 -0.00 -1.61 -1.32 0.00 0.00 176.35 173.28 2yro s GLU 136 N 1.87 3.31 -0.01 1.98 2.02 -0.66 -1.97 118.70 125.24 2yro s GLU 136 Ca -0.00 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.56 2yro s GLU 136 Cb -0.17 -2.88 0.01 0.00 0.10 0.00 0.00 34.13 31.19 2yro s GLU 136 CO -0.10 0.51 -0.00 0.42 0.02 0.00 0.00 175.26 176.12 2yro s ILE 137 N -0.36 0.07 0.13 -1.63 1.01 0.06 -1.15 121.20 119.34 2yro s ILE 137 Ca 0.07 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 2yro s ILE 137 Cb -0.12 -0.11 0.01 0.00 0.01 0.00 0.00 42.46 42.25 2yro s ILE 137 CO 0.02 0.05 0.31 0.21 0.00 0.00 0.00 174.94 175.53 2yro s ASN 138 N 0.29 -0.04 0.00 3.58 3.84 -0.83 -0.13 114.94 121.64 2yro s ASN 138 Ca -0.02 -0.60 0.00 0.00 0.21 0.00 0.00 52.86 52.44 2yro s ASN 138 Cb -0.04 0.43 0.00 0.00 -0.55 0.00 0.00 41.25 41.09 2yro s ASN 138 CO -0.01 -0.85 0.00 0.61 -2.79 0.00 0.00 177.10 174.07 2yro n GLY 139 N -0.18 0.12 2.39 1.21 0.00 -1.26 -0.63 105.19 106.84 2yro n GLY 139 Ca -0.13 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 2yro n GLY 139 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yro n ASP 140 N 2.32 7.57 -4.47 1.61 8.00 -1.16 -4.95 116.55 125.49 2yro n ASP 140 Ca 0.00 -3.79 -0.23 0.00 0.71 0.00 0.00 54.79 51.47 2yro n ASP 140 Cb 0.00 -0.96 -0.10 0.00 -0.02 0.00 0.00 41.12 40.03 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2yro s ILE 141 N -4.86 2.14 -0.39 0.53 -5.25 -1.26 -3.61 121.20 108.50 2yro s ILE 141 Ca 0.63 -2.26 -0.11 0.00 -0.99 0.00 0.00 60.65 57.91 2yro s ILE 141 Cb 0.50 -2.39 0.03 0.00 2.95 0.00 0.00 42.46 43.55 2yro s ILE 141 CO -0.06 -0.35 0.23 -2.28 -1.79 0.00 0.00 174.94 170.69 2yro s HIS 142 N -2.71 3.25 0.29 1.37 5.65 0.83 -4.96 115.29 119.02 2yro s HIS 142 Ca 0.29 -0.99 -0.28 0.00 0.25 0.00 0.00 55.06 54.33 2yro s HIS 142 Cb -0.00 -2.54 -0.09 0.00 -1.18 0.00 0.00 32.58 28.76 2yro s HIS 142 CO 0.14 -0.67 1.00 -1.17 -0.65 0.00 0.00 174.74 173.38 2yro s LEU 143 N 1.55 4.48 -0.13 8.88 2.96 -1.26 -0.38 118.68 134.78 2yro s LEU 143 Ca 0.02 2.02 -0.09 0.00 -0.22 0.00 0.00 54.13 55.87 2yro s LEU 143 Cb -0.20 -3.79 -0.06 0.00 0.50 0.00 0.00 46.19 42.64 2yro s LEU 143 CO 0.07 -0.06 -0.21 0.18 -1.32 0.00 0.00 176.35 175.01 2yro n LEU 144 N 0.98 1.25 -3.62 -0.68 4.77 -0.83 -3.10 117.00 115.77 2yro n LEU 144 Ca 0.00 0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 56.14 2yro n LEU 144 Cb 0.47 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2yro n LEU 144 CO 0.49 0.12 1.03 -0.70 -1.33 0.00 0.00 177.39 177.01 2yro s GLU 145 N -2.35 0.24 -0.17 3.23 2.56 -1.18 -3.74 118.70 117.30 2yro s GLU 145 Ca -0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.97 54.78 2yro s GLU 145 Cb 0.07 0.11 0.01 0.00 2.00 0.00 0.00 34.13 36.32 2yro s GLU 145 CO 0.27 -0.08 -0.17 0.08 -0.56 0.00 0.00 175.26 174.80 2yro s VAL 146 N -1.36 2.42 0.16 3.70 1.01 -1.26 -2.51 120.40 122.56 2yro s VAL 146 Ca 0.06 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.29 2yro s VAL 146 Cb -0.01 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2yro s VAL 146 CO -0.05 0.52 -0.09 -0.60 0.00 0.00 0.00 175.10 174.88 2yro s ARG 147 N 1.10 2.09 -0.18 2.72 3.52 -1.14 -5.02 118.95 122.04 2yro s ARG 147 Ca -0.00 -1.20 -0.05 0.00 -0.13 0.00 0.00 55.73 54.35 2yro s ARG 147 Cb -0.14 -2.21 0.09 0.00 -1.56 0.00 0.00 34.95 31.13 2yro s ARG 147 CO -0.06 0.45 0.35 -1.54 -0.81 0.00 0.00 175.30 173.70 2yro s SER 148 N -2.68 0.09 0.12 -2.12 1.04 -1.26 -1.62 113.70 107.27 2yro s SER 148 Ca 0.24 0.69 0.10 0.00 0.48 0.00 0.00 55.95 57.46 2yro s SER 148 Cb -0.09 1.06 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 2yro s SER 148 CO 0.15 -0.25 -0.25 -1.66 0.98 0.00 0.00 173.24 172.21 2yro s TRP 149 N 2.53 2.15 -0.04 5.02 -2.14 -1.15 -5.00 118.94 120.30 2yro s TRP 149 Ca 0.02 -0.39 -0.01 0.00 2.66 0.00 0.00 56.10 58.38 2yro s TRP 149 Cb -0.13 -1.17 -0.02 0.00 -3.10 0.00 0.00 33.47 29.06 2yro s TRP 149 CO -0.12 0.30 -0.04 -1.13 -2.66 0.00 0.00 176.95 173.30 2yro n SER 150 N 0.96 2.37 -3.05 -2.66 3.41 -1.26 -3.07 113.62 110.32 2yro n SER 150 Ca -0.18 0.01 -0.17 0.00 -0.26 0.00 0.00 58.87 58.26 2yro n SER 150 Cb 0.53 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.42 2yro n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yro n GLY 151 N 3.10 -1.01 0.07 5.00 0.00 -1.26 -4.91 105.19 106.18 2yro n GLY 151 Ca -0.07 1.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.97 2yro n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yro h PRO 152 N 2.15 -0.05 0.00 1.61 0.13 -2.00 -3.42 132.00 130.41 2yro h PRO 152 Ca -0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.85 2yro h PRO 152 Cb 1.06 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2yro h PRO 152 CO 0.20 0.42 -1.24 -1.13 -0.23 0.00 0.00 178.00 176.01 2yro n SER 153 N -4.88 0.64 -3.60 1.44 3.41 -1.26 -5.11 113.62 104.25 2yro n SER 153 Ca -0.08 0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.55 2yro n SER 153 Cb 0.25 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2yro n SER 153 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yro s SER 154 N -5.71 -0.29 0.00 4.04 0.15 -1.26 -5.29 113.70 105.35 2yro s SER 154 Ca -0.10 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2yro s SER 154 Cb 0.04 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2yro s SER 154 CO 0.13 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.92